Geometry & MOs

Info

ID:	72323
PubChem CID:	48416046
Reduced:	ON6C22H22 (1)
Stoich.:	AB6C22D22 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	69.51
Dipole, Da:	6.31
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

DOS

IR

Vibrations